3-methylfuran-2-carboximidamide;hydrochloride

C6H9ClN2O — CID 44607756

IUPAC3-methylfuran-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1occc1C
InChIInChI=1S/C6H8N2O.ClH/c1-4-2-3-9-5(4)6(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKeyVZQCVWXUASFJOA-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.29
Rot. Bonds1

About 3-methylfuran-2-carboximidamide;hydrochloride

3-methylfuran-2-carboximidamide;hydrochloride (PubChem CID 44607756) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 3-methylfuran-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name3-methylfuran-2-carboximidamide;hydrochloride
PubChem CID44607756
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name3-methylfuran-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1occc1C
InChIInChI=1S/C6H8N2O.ClH/c1-4-2-3-9-5(4)6(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKeyVZQCVWXUASFJOA-UHFFFAOYSA-N
XLogP1.29
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylfuran-2-carboximidamide;hydrochloride?
The IUPAC name of 3-methylfuran-2-carboximidamide;hydrochloride (CID 44607756) is 3-methylfuran-2-carboximidamide;hydrochloride.
What is the SMILES notation for 3-methylfuran-2-carboximidamide;hydrochloride?
The canonical SMILES for 3-methylfuran-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1occc1C.
What is the InChIKey of 3-methylfuran-2-carboximidamide;hydrochloride?
The InChIKey is VZQCVWXUASFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-4-2-3-9-5(4)6(7)8;/h2-3H,1H3,(H3,7,8);1H.
What are the key properties of 3-methylfuran-2-carboximidamide;hydrochloride?
3-methylfuran-2-carboximidamide;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran-2-carboximidamide;hydrochloride is sourced from PubChem (CID 44607756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).